5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine

C19H20F2N6O2 — CID 123211339

IUPAC5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine
SMILESCOc1ccc(C2CC2(C)COc2nc(C)ncc2-c2cnnn2C(F)F)nc1
InChIInChI=1S/C19H20F2N6O2/c1-11-22-8-13(16-9-24-26-27(16)18(20)21)17(25-11)29-10-19(2)6-14(19)15-5-4-12(28-3)7-23-15/h4-5,7-9,14,18H,6,10H2,1-3H3
InChIKeyJEFXQPNIQDIFIG-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.41
Rot. Bonds7

About 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine

5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine (PubChem CID 123211339) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine
PubChem CID123211339
Molecular FormulaC19H20F2N6O2
Molecular Weight402.41 g/mol
Exact Mass402.16
IUPAC Name5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine
SMILESCOc1ccc(C2CC2(C)COc2nc(C)ncc2-c2cnnn2C(F)F)nc1
InChIInChI=1S/C19H20F2N6O2/c1-11-22-8-13(16-9-24-26-27(16)18(20)21)17(25-11)29-10-19(2)6-14(19)15-5-4-12(28-3)7-23-15/h4-5,7-9,14,18H,6,10H2,1-3H3
InChIKeyJEFXQPNIQDIFIG-UHFFFAOYSA-N
XLogP3.41
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyclopropyl-3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406937
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
US9765058, Example 2-2-10
CID 86580572
3-Cyclopropyl-6-fluoro-2-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 71535398
8-(cyclopropylmethoxy)-N-(2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386776
6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine
CID 56949363
4-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)pyrimidine
CID 71061106
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
CID 71085908
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohex-3-en-1-ol
CID 71086089
5-fluoro-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 71271514
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 71274151

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine?
The IUPAC name of 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine (CID 123211339) is 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine.
What is the SMILES notation for 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine?
The canonical SMILES for 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine is COc1ccc(C2CC2(C)COc2nc(C)ncc2-c2cnnn2C(F)F)nc1.
What is the InChIKey of 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine?
The InChIKey is JEFXQPNIQDIFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-11-22-8-13(16-9-24-26-27(16)18(20)21)17(25-11)29-10-19(2)6-14(19)15-5-4-12(28-3)7-23-15/h4-5,7-9,14,18H,6,10H2,1-3H3.
What are the key properties of 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine?
5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine has a molecular weight of 402.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)triazol-4-yl]-4-[[2-(5-methoxy-2-pyridinyl)-1-methylcyclopropyl]methoxy]-2-methylpyrimidine is sourced from PubChem (CID 123211339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).